| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 28 | Yes |
Popular Name: 8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-7-isopentyl-1,3-dimethyl-purine-2,6-dione 8-[[4-(2-hydroxyethyl)piperazin-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.88 | 5.33 | -52.8 | 2 | 9 | 1 | 90 | 393.512 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 3.04 | -11.87 | 1 | 9 | 0 | 89 | 392.504 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
